# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09242031
_cell_length_b   15.67936339
_cell_length_c   45.94348951
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.16702415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2927.09568891
_cell_formula_units_Z   72
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  H  H1  1  0.056944  0.241579  0.292718  1
  H  H2  1  0.738513  0.745287  0.307250  1
  H  H3  1  -0.008765  0.984949  0.288056  1
  H  H4  1  0.370595  0.498058  0.299646  1
  H  H5  1  -0.024911  0.830631  0.275992  1
  H  H6  1  0.644186  0.363685  0.285450  1
  H  H7  1  0.309263  0.102510  0.279094  1
  H  H8  1  0.692693  0.607636  0.289605  1
  H  H9  1  0.534502  0.256460  0.318368  1
  H  H10  1  0.246518  0.767614  0.330179  1
  H  H11  1  0.501840  1.004999  0.314130  1
  H  H12  1  0.873287  0.511198  0.325061  1
  H  H13  1  0.428675  0.873609  0.297120  1
  H  H14  1  0.127835  0.377417  0.310323  1
  H  H15  1  0.786317  0.123377  0.303765  1
  H  H16  1  0.167572  0.634855  0.314413  1
  H  H17  1  0.012852  0.272898  0.343167  1
  H  H18  1  0.742005  0.781580  0.355673  1
  H  H19  1  0.004979  1.019723  0.337939  1
  H  H20  1  0.363055  0.528382  0.349307  1
  H  H21  1  0.895515  0.885530  0.323284  1
  H  H22  1  0.616718  0.393253  0.335017  1
  H  H23  1  0.267745  0.139199  0.328895  1
  H  H24  1  0.639230  0.644919  0.340731  1
  H  H25  1  0.498078  0.288717  0.367602  1
  H  H26  1  0.235627  0.797290  0.379584  1
  H  H27  1  0.505938  0.034786  0.362360  1
  H  H28  1  0.859489  0.543276  0.374009  1
  H  H29  1  0.384421  0.900345  0.346907  1
  H  H30  1  0.113645  0.408726  0.359103  1
  H  H31  1  0.756503  0.154212  0.352967  1
  H  H32  1  0.119045  0.662858  0.364250  1
  H  H33  1  -0.012700  0.304824  0.392020  1
  H  H34  1  0.728277  0.813081  0.404141  1
  H  H35  1  0.002537  0.050587  0.386263  1
  H  H36  1  0.352371  0.559439  0.398057  1
  H  H37  1  0.875905  0.915848  0.371397  1
  H  H38  1  0.609358  0.424730  0.383122  1
  H  H39  1  0.247791  0.169922  0.377274  1
  H  H40  1  0.604099  0.678367  0.388969  1
  H  H41  1  0.479441  0.320594  0.416390  1
  H  H42  1  0.220710  0.828764  0.428377  1
  H  H43  1  0.496092  0.066375  0.410581  1
  H  H44  1  0.846169  0.575144  0.422438  1
  H  H45  1  0.367746  0.931257  0.395353  1
  H  H46  1  0.105857  0.440126  0.407358  1
  H  H47  1  0.740871  0.185709  0.401406  1
  H  H48  1  0.093717  0.694199  0.413067  1
  H  H49  1  -0.028167  0.336302  0.440739  1
  H  H50  1  0.713097  0.844647  0.452733  1
  H  H51  1  -0.011228  0.082106  0.434771  1
  H  H52  1  0.338958  0.590866  0.446635  1
  H  H53  1  0.860288  0.947282  0.419660  1
  H  H54  1  0.599943  0.455967  0.431523  1
  H  H55  1  0.233757  0.201493  0.425655  1
  H  H56  1  0.585230  0.709995  0.437506  1
  H  H57  1  0.464524  0.352052  0.465037  1
  H  H58  1  0.205463  0.860432  0.477000  1
  H  H59  1  0.481147  0.097826  0.459062  1
  H  H60  1  0.831631  0.606563  0.470949  1
  H  H61  1  0.352872  0.962989  0.443849  1
  H  H62  1  0.093145  0.471622  0.455811  1
  H  H63  1  0.726441  0.217126  0.449914  1
  H  H64  1  0.077411  0.725720  0.461771  1
  H  H65  1  0.957176  0.367768  0.489332  1
  H  H66  1  0.697861  0.876244  0.501298  1
  H  H67  1  -0.026410  0.113563  0.483326  1
  H  H68  1  0.324188  0.622270  0.495216  1
  H  H69  1  0.845453  0.978809  0.468140  1
  H  H70  1  0.585899  0.487340  0.480072  1
  H  H71  1  0.219038  0.232830  0.474192  1
  H  H72  1  0.569754  0.741503  0.486085  1
  H  H73  1  0.449871  0.383479  0.513620  1
  H  H74  1  0.190317  0.892010  0.525553  1
  H  H75  1  0.466016  0.129315  0.507607  1
  H  H76  1  0.816733  0.637988  0.519500  1
  H  H77  1  0.337909  0.994575  0.492394  1
  H  H78  1  0.078594  0.503051  0.504360  1
  H  H79  1  0.711582  0.248549  0.498477  1
  H  H80  1  0.062180  0.757256  0.510366  1
  H  H81  1  0.942625  0.399197  0.537881  1
  H  H82  1  0.682898  0.907830  0.549843  1
  H  H83  1  0.958360  0.145099  0.531922  1
  H  H84  1  0.309329  0.653693  0.543778  1
  H  H85  1  0.830307  1.010387  0.516692  1
  H  H86  1  0.571246  0.518767  0.528655  1
  H  H87  1  0.204140  0.264256  0.522743  1
  H  H88  1  0.554624  0.772993  0.534630  1
  H  H89  1  0.435827  0.414852  0.562169  1
  H  H90  1  0.175482  0.923537  0.574033  1
  H  H91  1  0.450540  0.160824  0.556187  1
  H  H92  1  0.802013  0.669325  0.568037  1
  H  H93  1  0.322673  1.026172  0.540960  1
  H  H94  1  0.063937  0.534516  0.552953  1
  H  H95  1  0.696813  0.279953  0.547057  1
  H  H96  1  0.046998  0.788713  0.558921  1
  H  H97  1  0.929913  0.430693  0.586334  1
  H  H98  1  0.668025  0.939561  0.598339  1
  H  H99  1  0.942053  0.176620  0.580625  1
  H  H100  1  0.294899  0.685110  0.592286  1
  H  H101  1  0.815061  0.042055  0.565315  1
  H  H102  1  0.556329  0.550224  0.577303  1
  H  H103  1  0.189602  0.295674  0.571254  1
  H  H104  1  0.539678  0.804444  0.583112  1
  H  H105  1  0.426412  0.446089  0.610570  1
  H  H106  1  0.159866  0.954971  0.622295  1
  H  H107  1  0.431671  0.192451  0.604723  1
  H  H108  1  0.787979  0.700897  0.616418  1
  H  H109  1  0.307493  0.057738  0.589552  1
  H  H110  1  0.048471  0.565994  0.601672  1
  H  H111  1  0.683400  0.311380  0.595636  1
  H  H112  1  0.033234  0.820232  0.607430  1
  H  H113  1  0.922125  0.462092  0.634589  1
  H  H114  1  0.651349  0.970474  0.646785  1
  H  H115  1  0.916726  0.207961  0.629442  1
  H  H116  1  0.279267  0.716607  0.640725  1
  H  H117  1  0.800143  0.073529  0.614109  1
  H  H118  1  0.537692  0.582102  0.626090  1
  H  H119  1  0.176281  0.327542  0.619683  1
  H  H120  1  0.529832  0.836033  0.631332  1
  H  H121  1  0.419052  0.477566  0.658675  1
  H  H122  1  0.140255  0.985289  0.670408  1
  H  H123  1  0.396540  0.225900  0.652961  1
  H  H124  1  0.768025  0.731620  0.664797  1
  H  H125  1  0.293765  0.089239  0.638019  1
  H  H126  1  0.022918  0.597921  0.650525  1
  H  H127  1  0.672715  0.342437  0.644385  1
  H  H128  1  0.030791  0.851095  0.655753  1
  H  H129  1  0.907935  0.493402  0.683369  1
  H  H130  1  0.607095  0.997210  0.696572  1
  H  H131  1  0.868199  0.235964  0.679279  1
  H  H132  1  0.249453  0.747441  0.689927  1
  H  H133  1  0.789252  0.103205  0.663513  1
  H  H134  1  0.501268  0.614358  0.675324  1
  H  H135  1  0.162483  0.359620  0.668631  1
  H  H136  1  0.533931  0.865820  0.679562  1
  H  H137  1  0.391584  0.507134  0.708242  1
  H  H138  1  0.060682  0.040188  0.717700  1
  H  H139  1  0.343077  0.263183  0.704087  1
  H  H140  1  0.726508  0.768309  0.714598  1
  H  H141  1  0.297257  0.125532  0.686442  1
  H  H142  1  -0.021174  0.629240  0.700974  1
  H  H143  1  0.665175  0.372761  0.694047  1
  H  H144  1  0.044535  0.885870  0.705636  1
